9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C51H32N4O — CID 170080240

IUPAC9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)43-24-13-22-41-40-20-10-11-25-45(40)55(47(41)43)38-30-31-46-44(32-38)42-23-12-21-39(48(42)56-46)35-16-6-2-7-17-35/h1-32H
InChIKeyGBYHQOHIBDJMTQ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 170080240) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID170080240
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)43-24-13-22-41-40-20-10-11-25-45(40)55(47(41)43)38-30-31-46-44(32-38)42-23-12-21-39(48(42)56-46)35-16-6-2-7-17-35/h1-32H
InChIKeyGBYHQOHIBDJMTQ-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591444
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
11-(4-phenylphenyl)-12-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164957984
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768

Frequently Asked Questions

What is the IUPAC name of 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 170080240) is 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)c45)n3)cc2)cc1.
What is the InChIKey of 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GBYHQOHIBDJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)43-24-13-22-41-40-20-10-11-25-45(40)55(47(41)43)38-30-31-46-44(32-38)42-23-12-21-39(48(42)56-46)35-16-6-2-7-17-35/h1-32H.
What are the key properties of 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170080240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).